SCHEMBL23969668

SCHEMBL23969668

COc1ccc2cc(C(C)C(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PTGS2 P35354 8/20 0.56
PTGS1 P23219 2/20 0.56
AKR1C3 P42330 2/20 0.56
AKR1C2 P52895 2/20 0.56
TSHR P16473 2/20 0.56
CDC42 P60953 1/20 0.56
RAC1 P63000 1/20 0.56
CYP1A2 P05177 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL219579 1.00 TDP1 (0.59) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL5538883 0.83 PTGS2 (0.57) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL2425993 0.82 TDP1 (0.61) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL9652335 0.82 TDP1 (0.61) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL5535859 0.81 PTGS2 (0.66) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL577152 0.80 PTGS2 (0.54) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL30731578 0.79 LMNA (0.44) PTGS2PTGS1CYP1A2LMNACYP2C9
SCHEMBL23969551 0.79 LMNA (0.44) PTGS2PTGS1CYP1A2LMNACYP2C9
SCHEMBL5539984 0.78 PTGS2 (0.54) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL5540261 0.78 PTGS2 (0.54) TDP1L3MBTL1PTGS2PTGS1AKR1C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799193-B Copper and nickel catalyzed decarboxylation borylation 斯克利普斯研究院 2023-12-12 CN disclosed
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2022-01-27 US disclosed
US-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-02 US disclosed
CN-110799193-A Copper and nickel catalyzed decarboxylation and boriding reactions 斯克利普斯研究院 2020-02-14 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions PCSK9, LIPA, ACSL3 TDP1 4278/4885L3MBTL1 1674/4885PTGS2 4140/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 TDP1 4230/4885L3MBTL1 3137/4885PTGS2 3958/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.